4-methyl-2-(4-methyl-2-pyridinyl)pyridine;platinum;spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]

C36H26N3Pt- — CID 58401833

IUPAC4-methyl-2-(4-methyl-2-pyridinyl)pyridine;platinum;spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]
SMILESCc1ccnc(-c2cc(C)ccn2)c1.[Pt].[c-]1cccc2c1-c1ncccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C24H14N.C12H12N2.Pt/c1-4-11-19-16(8-1)17-9-2-5-12-20(17)24(19)21-13-6-3-10-18(21)23-22(24)14-7-15-25-23;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h1-9,11-15H;3-8H,1-2H3;/q-1;;
InChIKeyJSQYTHDUIGFIBL-UHFFFAOYSA-N
MW695.70 g/mol
LogP7.98
Rot. Bonds1

About 4-methyl-2-(4-methyl-2-pyridinyl)pyridine;platinum;spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]

4-methyl-2-(4-methyl-2-pyridinyl)pyridine;platinum;spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene] (PubChem CID 58401833) has the molecular formula C36H26N3Pt- and a molecular weight of 695.70 g/mol. Its IUPAC name is 4-methyl-2-(4-methyl-2-pyridinyl)pyridine;platinum;spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene].

Molecular Properties

Compound Name4-methyl-2-(4-methyl-2-pyridinyl)pyridine;platinum;spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]
PubChem CID58401833
Molecular FormulaC36H26N3Pt-
Molecular Weight695.70 g/mol
Exact Mass695.18
IUPAC Name4-methyl-2-(4-methyl-2-pyridinyl)pyridine;platinum;spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]
SMILESCc1ccnc(-c2cc(C)ccn2)c1.[Pt].[c-]1cccc2c1-c1ncccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C24H14N.C12H12N2.Pt/c1-4-11-19-16(8-1)17-9-2-5-12-20(17)24(19)21-13-6-3-10-18(21)23-22(24)14-7-15-25-23;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h1-9,11-15H;3-8H,1-2H3;/q-1;;
InChIKeyJSQYTHDUIGFIBL-UHFFFAOYSA-N
XLogP7.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.70
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methyl-2-pyridinyl)pyridine;platinum;spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]?
The IUPAC name of 4-methyl-2-(4-methyl-2-pyridinyl)pyridine;platinum;spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene] (CID 58401833) is 4-methyl-2-(4-methyl-2-pyridinyl)pyridine;platinum;spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene].
What is the SMILES notation for 4-methyl-2-(4-methyl-2-pyridinyl)pyridine;platinum;spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]?
The canonical SMILES for 4-methyl-2-(4-methyl-2-pyridinyl)pyridine;platinum;spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene] is Cc1ccnc(-c2cc(C)ccn2)c1.[Pt].[c-]1cccc2c1-c1ncccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 4-methyl-2-(4-methyl-2-pyridinyl)pyridine;platinum;spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]?
The InChIKey is JSQYTHDUIGFIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N.C12H12N2.Pt/c1-4-11-19-16(8-1)17-9-2-5-12-20(17)24(19)21-13-6-3-10-18(21)23-22(24)14-7-15-25-23;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h1-9,11-15H;3-8H,1-2H3;/q-1;;.
What are the key properties of 4-methyl-2-(4-methyl-2-pyridinyl)pyridine;platinum;spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]?
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;platinum;spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene] has a molecular weight of 695.70 g/mol, XLogP of 7.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methyl-2-pyridinyl)pyridine;platinum;spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene] is sourced from PubChem (CID 58401833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).